Crystallography Open Database

Information card for entry 2242795

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Structure parameters

Common name	2,3-bis(thien-2-yl)pyrido[2,3-<i>b</i>]pyrazine
Chemical name	2,3-Bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine
Formula	C15 H9 N3 S2
Calculated formula	C15 H9 N3 S2
SMILES	s1c(c2nc3c(nc2c2sccc2)cccn3)ccc1
Title of publication	Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine
Authors of publication	Popek, Rafal; Crundwell, Guy
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	1
Pages of publication	89 - 93
a	5.25147 ± 0.00012 Å
b	14.1093 ± 0.0003 Å
c	17.769 ± 0.0003 Å
α	90°
β	92.0296 ± 0.0018°
γ	90°
Cell volume	1315.76 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242795.cif 2242795.hkl
212657	2018-12-19	cif/ hkl/ Adding structures of 2242795, 2242796 via cif-deposit CGI script.	2242795.cif 2242795.hkl